(2-methoxyethyl)[(1-methyl-1H-imidazol-2-yl)methyl][(3-methylthiophen-2-yl)methyl]amine

• ChemBase ID: 401664
• Molecular Formular: C14H21N3OS
• Molecular Mass: 279.40104
• Monoisotopic Mass: 279.14053331
• SMILES: c1(n(ccn1)C)CN(Cc1c(ccs1)C)CCOC
• Canonical SMILES: COCCN(Cc1nccn1C)Cc1sccc1C
• InChI: InChI=1S/C14H21N3OS/c1-12-4-9-19-13(12)10-17(7-8-18-3)11-14-15-5-6-16(14)2/h4-6,9H,7-8,10-11H2,1-3H3
• InChIKey: VPPXIVCJPGDVRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(1-methyl-1H-imidazol-2-yl)methyl][(3-methylthiophen-2-yl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[(1-methylimidazol-2-yl)methyl][(3-methylthiophen-2-yl)methyl]amine
• Synonyms: (2-methoxyethyl)[(1-methyl-1H-imidazol-2-yl)methyl][(3-methyl-2-thienyl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8169845
• LogD (pH = 7.4): 2.0849724
• Log P: 2.1968155
• Molar Refractivity: 79.3664 cm^3
• Polarizability: 30.330088 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.74
• LOG S: -1.71
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7